1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine

C10H17N3O — CID 83484644

IUPAC1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine
SMILESCc1coc(N2CCCC(N)CC2)n1
InChIInChI=1S/C10H17N3O/c1-8-7-14-10(12-8)13-5-2-3-9(11)4-6-13/h7,9H,2-6,11H2,1H3
InChIKeyVZNYTPXOXWFHPB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.30
Rot. Bonds1

About 1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine

1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine (PubChem CID 83484644) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine
PubChem CID83484644
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine
SMILESCc1coc(N2CCCC(N)CC2)n1
InChIInChI=1S/C10H17N3O/c1-8-7-14-10(12-8)13-5-2-3-9(11)4-6-13/h7,9H,2-6,11H2,1H3
InChIKeyVZNYTPXOXWFHPB-UHFFFAOYSA-N
XLogP1.30
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-oxazole
CID 130719650
4-(4-methyl-1,3-oxazol-2-yl)cyclohexan-1-amine
CID 82408866
(4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine
CID 95723048
1-(2-ethylpyrazol-3-yl)azepan-4-amine
CID 141313386
1-(2-methyl-1,3-thiazol-4-yl)piperidin-4-amine
CID 130831630
1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine
CID 56897575
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
N-methyl-1-[2-(4-methylsulfanylazepan-1-yl)-1,3-oxazol-4-yl]methanamine
CID 114238222
2-pyrrolidin-1-yl-1,3-oxazole-4-carboximidamide
CID 112712307
(3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine
CID 130905710
2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 70845901
1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793827

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine?
The IUPAC name of 1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine (CID 83484644) is 1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine.
What is the SMILES notation for 1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine?
The canonical SMILES for 1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine is Cc1coc(N2CCCC(N)CC2)n1.
What is the InChIKey of 1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine?
The InChIKey is VZNYTPXOXWFHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-7-14-10(12-8)13-5-2-3-9(11)4-6-13/h7,9H,2-6,11H2,1H3.
What are the key properties of 1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine?
1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine has a molecular weight of 195.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-oxazol-2-yl)azepan-4-amine is sourced from PubChem (CID 83484644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).